5,6,7,8-Tetrahydro-1H-Pyrimido[4,5-b]Azepine
[CAS# 27228-52-0]

Identification

• Name: 5,6,7,8-Tetrahydro-1H-Pyrimido[4,5-b]Azepine
• Synonyms: 6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepine
• Molecular Formula: C₈H₁₁N₃
• Molecular Weight: 149.19
• CAS Registry Number: 27228-52-0
• SMILES: c1nc2NCCCCc2cn1
• InChI: 1S/C8H11N3/c1-2-4-10-8-7(3-1)5-9-6-11-8/h5-6H,1-4H2,(H,9,10,11)
• InChIKey: LFYHDXMQYUAWJJ-UHFFFAOYSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 311.379°C at 760 mmHg (Cal.)
• Flash point: 142.117°C (Cal.)
• Refractive index: 1.536 (Cal.)